m8 Mrv1572012171518032D 49 48 0 0 1 0 999 V2000 -0.1691 0.3607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8792 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5896 0.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2414 -0.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5796 -0.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5412 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 0.3607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0097 0.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 0.6480 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.9002 0.0209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2620 1.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2996 1.5409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0137 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7278 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4419 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8701 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5843 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2984 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0125 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7266 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4407 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2657 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9799 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6940 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4081 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1222 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8363 0.3564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5504 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3235 -1.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7517 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4659 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1800 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8941 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6082 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3223 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0364 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8614 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5755 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2896 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0038 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7179 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4320 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1462 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8603 -0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5744 -0.7692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 1 0 0 0 0 1 4 1 1 0 0 0 2 3 1 0 0 0 0 3 12 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 7 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 31 5 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 M END > M2MDB000748 > M2MDB > [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(O)=O)OC(=O)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C39H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13,15,18,20,37H,3-12,14,16-17,19,21-36H2,1-2H3,(H2,42,43,44)/b15-13-,20-18-/t37-/m1/s1 > IIMFLKINUHKKSA-SLLMOJSDSA-N > C39H73O8P > 700.979 > 700.504306309 > 5 > 121 > 85.46106480385943 > 0 > 2 > 0 > 0 > [(2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid > 9.12 > 12.93395909733333 > -7.02 > 0 > 0 > -2 > 6.343234649149876 > 1.3174060830586427 > -6.744159310865181 > 119.36000000000001 > 199.209 > 38 > 0 > 6.67e-05 g/l > (2R)-3-[(11Z)-octadec-11-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propoxyphosphonic acid > 0 > ECMDB07863 > PA(18:1(11Z)/18:1(9Z)) $$$$